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CAS 1196157-40-0 1-(2,2-Difluoro-benzo[1,3]dioxol-5-yl)-cyclopropylaMine molecular structure lightbox
CAS RN: 1196157-40-0

1-(2,2-Difluoro-benzo[1,3]dioxol-5-yl)-cyclopropylaMine

  • Product code: SSC-020300
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1196157-40-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 5 In Stock Shenzhen Inquiry
0.25g ≥95% 5 In Stock Beijing Inquiry
1g ≥95% 5 In Stock Hong Kong Inquiry
5g ≥95% 2 In Stock Shenzhen Inquiry

1196157-40-0 / 1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropan-1-amine

1-(2,2-DIFLUOROBENZO[D][1,3]DIOXOL-5-YL)CYCLOPROPANAMINE | 1-(2,2-Difluoro-1,3-benzodioxol-5-yl)cyclopropanamine | Cyclopropanamine, 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-

Standard CAS: 1196157-40-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1196157-40-0
Multi CAS
No
Molecular Formula
C10H9F2NO2
Molecular Weight
213.180000
Exact Mass
213.060135
SMILES
C1CC1(C2=CC3=C(C=C2)OC(O3)(F)F)N
InChI
InChI=1S/C10H9F2NO2/c11-10(12)14-7-2-1-6(5-8(7)15-10)9(13)3-4-9/h1-2,5H,3-4,13H2
InChIKey
QLRXSZRQVDKVOA-UHFFFAOYSA-N
Synonyms
1-(2,2-DIFLUOROBENZO[D][1,3]DIOXOL-5-YL)CYCLOPROPANAMINE 1-(2,2-Difluoro-1,3-benzodioxol-5-yl)cyclopropanamine Cyclopropanamine, 1-(2,2-difluoro-1,3-benzodioxol-5-yl)- MFCD13190000 1-(2,2-DIFLUORO-1,3-BENZODIOXOL-5-YL)CYCLOPROPAN-1-AMINE

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
47.74
TPSA
44.48

LogP / Solubility

WLOGP
1.96
MLOGP
1.72
XLogP3
1.7
Consensus LogP
1.79
Log S (ESOL)
-2.62
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.72
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.79
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.63

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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